>compound L-Norleucine_L-Norleucine
#instrument UPLC Q-Tof Premier, Waters
>formula C6H13NO2
#smiles CCCC[C@H](N)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100169.txt;LC-ESI-QTOF_train_data/PR100583.txt;LC-ESI-QTOF_train_data/PR100170.txt
>charge 1
>ionization [M+H]+
>parentmass 132.10242

>collision 5-60
69.0706 178.5
86.0954 2635.0
88.0034 58.27
99.5113 65.42
115.9657 116.2
132.1024 150.6

>collision 5-60
84.0828 3.929
130.0868 297.7
130.2671 3.527

>collision 30
69.0716 20.21
86.0972 59.91
97.9536 5.678
98.9638 17.8
115.9675 14.38
124.9671 10.95

